SCHEMBL20779754

SCHEMBL20779754

CC[SH](C)(=O)c1ccc(NC2CCCCC2)c(-c2nnn(Cc3ccccc3F)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ KCNJ6 P48051 1/20 0.38
▸ KCNJ5 P48544 1/20 0.38
▸ KCNJ3 P48549 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ THRB P10828 1/20 0.36
▸ HPGD P15428 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29074758 0.82 NPC1 (0.55) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL20766317 0.81 MAPT (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL20779657 0.79 MAOA (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL29074768 0.77 MAPT (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL25789101 0.71 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL20779653 0.68 ALOX15 (0.46) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL20779757 0.67 CXCR4 (0.45) SMN1; SMN2MAPTALDH1A1TDP1KDM4E
SCHEMBL20767102 0.67 CHEK1 (0.43) MAPTALDH1A1KDM4EKCNJ6KCNJ5
SCHEMBL20766378 0.66 ALDH1A1 (0.50) SMN1; SMN2MAPTALDH1A1KDM4EMEN1
SCHEMBL20779736 0.65 ALDH1A1 (0.38) MAPTALDH1A1KDM4EHPGDLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019040380-A1 BENZOSULFONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-02-28 — — WO disclosed
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